SCHEMBL1900397

SCHEMBL1900397

Oc1cccc(OCCC2CCCCC2)c1-c1cnc[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 13/20 1.00
MCHR1 Q99705 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
HPGD P15428 1/20 0.37
HTR3A P46098 1/20 0.37
HRH4 Q9H3N8 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1900934 0.85 IDO1 (0.74) IDO1MCHR1NFKB1NFKB2RELA
Hydrochloric Acid SCHEMBL13517394 0.84 IDO1 (0.72) IDO1MCHR1NFKB1NFKB2RELA
SCHEMBL18117813 0.84 IDO1 (0.72) IDO1MCHR1NFKB1NFKB2RELA
SCHEMBL12676469 0.84 IDO1 (0.72) IDO1
SCHEMBL1907082 0.82 IDO1 (1.00) IDO1MCHR1
SCHEMBL12676474 0.81 IDO1 (0.67) IDO1
SCHEMBL1907081 0.80 IDO1 (0.67) IDO1CDK1CCNB1CCNA2CDK2
SCHEMBL1948734 0.79 IDO1 (0.69) IDO1MCHR1NFKB1NFKB2RELA
Hydrochloric Acid SCHEMBL1950446 0.78 IDO1 (0.67) IDO1MCHR1NFKB1NFKB2RELA
SCHEMBL12676623 0.75 IDO1 (0.71) IDO1HRH4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722720-B2 Imidazole derivatives as IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-05-13 US claimed
US-20120277217-A1 Imidazole Derivatives as IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2012-11-01 US claimed
EP-2493862-A1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS Newlink Genetics Corporation (US) 2012-09-05 EP claimed
WO-2011056652-A1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS (US) 2011-05-12 WO claimed
EP-2493862-B1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS CORP (US) 2016-10-05 EP disclosed
EP-2493862-B1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS CORP (US) 2016-10-05 EP disclosed
US-8722720-B2 Imidazole derivatives as IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-05-13 US disclosed
US-8722720-B2 Imidazole derivatives as IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-05-13 US disclosed
US-8722720-B2 Imidazole derivatives as IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2014-05-13 US disclosed
US-20120277217-A1 Imidazole Derivatives as IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2012-11-01 US disclosed
US-20120277217-A1 Imidazole Derivatives as IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2012-11-01 US disclosed
US-20120277217-A1 Imidazole Derivatives as IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2012-11-01 US disclosed
WO-2011056652-A1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS (US) 2011-05-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120277217-A1 Imidazole Derivatives as IDO Inhibitors IDO1, IDO2, INMT IDO1 1/4885MCHR1 2695/4885NFKB1 1316/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.